2-chloranyl-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline

Systemtic Name: 2-chloranyl-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methyl-quinoline Openeye Name: 2-chloro-3-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-7-methyl-quinoline CAS Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methylquinoline IUPAC Name: 2-chloro-3-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-7-methylquinoline Traditional Name: 2-chloro-3-[[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]-7-methyl-quinoline Formula: C21H18ClN5S MolecularWeight: 407.91912

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5)Cl

Isomeric SMILES

CC1=CC2=NC(=C(C=C2C=C1)CSC3=NN=C(N3C4CC4)C5=CN=CC=C5)Cl

InChI

InChI=1S/C21H18ClN5S/c1-13-4-5-14-10-16(19(22)24-18(14)9-13)12-28-21-26-25-20(27(21)17-6-7-17)15-3-2-8-23-11-15/h2-5,8-11,17H,6-7,12H2,1H3